ATOM 23
1 C1x C 26.5300 -16.4500
2 C1x C 26.6700 -15.5400
3 C1y C 27.6500 -16.1700
4 C1y C 27.9300 -15.0500
5 N1y N 26.7400 -13.7900
6 C1x C 29.4000 -16.1700
7 C1x C 29.1200 -15.0500
8 C1y C 30.3800 -16.6600
9 N1b N 31.4300 -17.5700
10 C5a C 32.5500 -17.5700
11 C8y C 33.1100 -16.5200
12 O5a O 33.1100 -18.6200
13 C1a C 26.0400 -12.6700
14 C1x C 25.5500 -15.0500
15 C8y C 34.4400 -16.5200
16 C8y C 34.8600 -15.2600
17 N4y N 33.8100 -14.4900
18 N5x N 32.6900 -15.2600
19 C8x C 35.3500 -17.5000
20 C8x C 36.6100 -17.2200
21 C8x C 37.0300 -15.9600
22 C8x C 36.1200 -14.9800
23 C1a C 33.8100 -13.1600
BOND 26
1 1 3 1
2 2 4 1
3 3 5 1
4 3 6 1
5 4 7 1
6 6 8 1
7 8 9 1
8 9 10 1
9 10 11 1
10 10 12 2
11 4 5 1
12 7 8 1
13 5 13 1
14 2 14 1
15 1 14 1
16 11 15 1
17 15 16 1
18 16 17 1
19 17 18 1
20 11 18 2
21 15 19 2
22 19 20 1
23 20 21 2
24 21 22 1
25 16 22 2
26 17 23 1
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